6ZU2

CML1 crystal structure in complex with H-type 1 trisaccharide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 31
Unit cell lengths	74.040, 74.040, 119.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.020 - 1.550
Rwork	0.150
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zrw
RMSD bond length	0.015
RMSD bond angle	1.889
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.020	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.053	0.568
Rmeas	0.056	0.602
Rpim	0.018	0.198
Number of reflections	106704	5214
<I/σ(I)>	21.6
Completeness [%]	100.0	100
Redundancy	9.1	9.3
CC(1/2)	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	292	1.5 M AmSO4, 100 mM trisodium citrate pH 5.6. Transfer in 2.5 M LI2SO4 for flash freezing in liquid nitrogen